3 papers
cs.LG2023
CHA2: CHemistry Aware Convex Hull Autoencoder Towards Inverse Molecular Design
Mohammad Sajjad Ghaemi, Hang Hu, Anguang Hu +1
Optimizing molecular design and discovering novel chemical structures to meet certain objectives, such as quantitative estimates of the drug-likeness score (QEDs), is NP-hard due t…
cs.LG2023
Machine learning for the prediction of safe and biologically active organophosphorus molecules
Hang Hu, Hsu Kiang Ooi, Mohammad Sajjad Ghaemi +1
Drug discovery is a complex process with a large molecular space to be considered. By constraining the search space, the fragment-based drug design is an approach that can effectiv…
physics.ins-det2022
Afterpulse measurement of JUNO 20-inch PMTs
Rong Zhao, Nikolay Anfimov, Yu Chen +13
In this article we present the large photo-multiplier tube (PMT) afterpulse measurement results of Jiangmen Underground Neutrino Observatory (JUNO) experiment. Totally 11 dynode-PM…